==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-11 4ABH . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.NEWMAN,T.S.PEAT . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 5 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.2 8.0 -20.7 14.6 2 17 A V B +A 171 0A 9 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.876 360.0 6.5 -98.7 131.2 10.3 -19.9 17.5 3 18 A G S S+ 0 0 46 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.689 102.1 121.6 75.8 21.1 11.9 -22.7 19.3 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.002 55.7-113.4 -96.7-154.7 10.7 -25.4 16.9 5 20 A Y E -B 137 0B 95 132,-2.3 132,-2.9 -3,-0.1 2,-0.4 -0.947 35.4 -86.9-141.5 156.4 12.4 -27.9 14.7 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.515 37.3-151.0 -64.0 119.4 12.9 -28.5 10.9 7 22 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.896 36.1-112.7 -62.5 -41.5 9.8 -30.6 10.0 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.0 4,-0.3 0.026 47.6 -58.0 105.3 142.0 11.4 -32.4 7.1 9 24 A A T 3 S- 0 0 43 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.210 117.3 -10.8 -64.5 125.2 10.4 -32.0 3.5 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.628 91.6 125.1 64.3 22.1 6.7 -32.6 2.8 11 26 A T S < S+ 0 0 85 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.523 74.5 51.0 -85.1 -8.7 6.1 -34.2 6.2 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.1 87,-0.1 -1,-0.2 -0.761 74.2 174.6-122.3 71.8 3.2 -31.7 6.7 13 28 A P T 3 S+ 0 0 30 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.632 71.6 55.0 -74.5 -12.2 1.4 -32.4 3.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.452 82.6 107.5 -88.5 -11.7 -1.6 -30.1 4.1 15 30 A Q E < -I 28 0C 5 -3,-2.1 36,-0.5 13,-0.2 37,-0.4 -0.621 49.0-177.3 -71.8 126.3 0.6 -27.0 4.8 16 31 A V E -I 27 0C 0 11,-2.5 11,-1.3 -2,-0.4 2,-0.4 -0.854 21.4-135.4-115.7 163.4 0.4 -24.4 2.0 17 32 A S E -IJ 26 49C 1 32,-2.3 32,-2.9 -2,-0.3 2,-0.5 -0.944 15.3-140.5-107.9 128.4 2.2 -21.1 1.6 18 33 A L E -IJ 25 48C 0 7,-3.1 6,-2.6 -2,-0.4 7,-1.0 -0.862 25.7-167.1 -89.1 125.7 0.1 -18.1 0.4 19 34 A N E +IJ 23 47C 19 28,-2.8 28,-2.8 -2,-0.5 4,-0.2 -0.952 31.6 165.5-124.0 130.9 2.2 -16.1 -2.1 20 37 A S S S- 0 0 32 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.317 98.4 -44.2-128.1 43.5 1.6 -12.7 -3.5 21 38 A G S S+ 0 0 67 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 0.191 140.8 24.0 109.7 -14.8 5.2 -12.3 -5.0 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.4 0, 0.0 2,-0.2 -0.923 102.8 -77.0-171.0 157.2 6.5 -13.7 -1.7 23 40 A H E +I 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.464 52.1 157.5 -64.8 134.6 5.3 -15.9 1.2 24 41 A F E + 0 0 28 -6,-2.6 2,-0.3 1,-0.5 151,-0.2 0.551 58.0 4.1-134.3 -12.6 3.0 -13.9 3.5 25 42 A b E -I 18 0C 8 -7,-1.0 -7,-3.1 151,-0.1 -1,-0.5 -0.979 63.0-120.2-162.3 158.1 0.8 -16.5 5.4 26 43 A G E +I 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.380 27.5 179.4 -90.5 176.2 0.2 -20.1 5.8 27 44 A G E -I 16 0C 0 -11,-1.3 -11,-2.5 -2,-0.1 2,-0.4 -0.956 23.5-120.0-163.0 176.9 -3.0 -22.1 5.1 28 45 A S E -IK 15 36C 0 8,-2.5 8,-2.9 -2,-0.3 2,-0.5 -0.992 20.1-129.4-133.1 127.4 -4.3 -25.7 5.3 29 46 A L E + K 0 35C 1 -15,-2.4 74,-2.5 -2,-0.4 6,-0.2 -0.662 27.8 173.6 -76.1 125.1 -5.6 -27.8 2.4 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.615 66.6 -10.2-114.1 -10.3 -9.0 -29.2 3.4 31 48 A N E > S- K 0 34C 50 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.925 88.9 -78.4-163.6-176.2 -10.0 -30.8 -0.0 32 49 A S T 3 S+ 0 0 42 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.716 128.5 32.0 -66.0 -20.4 -8.7 -30.7 -3.6 33 50 A Q T 3 S+ 0 0 73 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.518 110.6 68.1-107.7 -11.3 -10.3 -27.2 -4.3 34 51 A W E < -KL 31 89C 1 -3,-0.7 -4,-2.6 55,-0.2 -3,-1.3 -0.950 48.2-169.5-135.4 140.0 -10.2 -25.4 -0.9 35 52 A V E -KL 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.4 -0.947 15.5-144.1-121.9 140.7 -7.8 -23.9 1.6 36 53 A V E +KL 28 87C 0 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.879 36.1 148.3 -95.1 128.9 -8.5 -22.7 5.3 37 54 A S E - L 0 86C 0 49,-2.6 49,-2.1 -2,-0.4 2,-0.4 -0.796 50.2 -72.6-143.8-168.6 -6.5 -19.6 6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.767 31.2-133.5 -89.3 141.4 -6.9 -16.6 8.7 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.831 106.8 65.1 -60.2 -31.6 -9.2 -13.8 7.7 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.660 93.7 61.9 -72.2 -7.2 -6.4 -11.3 8.6 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.393 78.6 131.9 -87.5 -0.0 -4.3 -12.9 5.8 42 59 A Y < + 0 0 131 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.282 20.5 135.5 -57.1 135.9 -7.0 -11.7 3.1 43 60 A K - 0 0 60 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.941 51.1-105.0-162.2 165.2 -5.7 -10.0 0.0 44 61 A S S S+ 0 0 94 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.493 95.0 43.2 -84.1 162.4 -6.4 -10.2 -3.7 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.879 73.9 169.1 74.0 39.9 -4.0 -11.9 -6.1 46 63 A I - 0 0 8 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.718 20.9-165.2 -85.3 131.5 -3.2 -14.9 -3.9 47 64 A Q E -JM 19 66C 50 -28,-2.8 -28,-2.8 -2,-0.5 2,-0.5 -0.974 17.1-141.2-107.8 127.2 -1.3 -17.9 -5.5 48 65 A V E -JM 18 65C 0 17,-2.8 17,-2.8 -2,-0.5 2,-0.6 -0.755 11.7-157.3 -85.6 127.3 -1.5 -21.0 -3.3 49 66 A R E -JM 17 64C 53 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.936 14.0-178.3-115.4 109.6 1.7 -23.0 -3.1 50 67 A L E + M 0 63C 2 13,-3.1 13,-2.1 -2,-0.6 -34,-0.1 -0.686 61.5 32.6 -96.1 159.1 1.3 -26.6 -2.2 51 69 A G S S+ 0 0 5 -36,-0.5 2,-0.3 -38,-0.3 10,-0.3 0.745 84.3 155.7 70.5 19.7 4.0 -29.3 -1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.582 21.1 148.8 -82.3 143.8 6.5 -26.7 -0.5 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.8 -2,-0.3 -1,-0.2 0.398 81.2 30.4-120.8 -79.0 9.5 -27.2 1.7 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.631 72.8-161.3 -76.9 112.3 12.1 -24.6 0.8 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.582 87.4 52.9 -75.5 -5.6 9.9 -21.7 -0.3 56 74 A N T 3 S+ 0 0 127 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.391 105.7 57.4-103.9 -1.0 12.9 -20.1 -2.2 57 75 A V S < S- 0 0 76 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -0.998 78.1-128.5-134.9 133.5 13.9 -23.2 -4.3 58 76 A V + 0 0 121 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.736 34.6 171.7 -79.5 110.0 11.9 -25.3 -6.7 59 77 A E - 0 0 93 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.600 51.1 -99.2-104.8 -12.9 12.5 -28.8 -5.3 60 78 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.350 103.5 75.3 119.8 -7.1 10.1 -30.8 -7.4 61 79 A N + 0 0 65 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.342 66.3 118.8-113.0 2.2 6.9 -31.5 -5.4 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.379 40.8-167.7 -69.3 152.4 5.3 -28.1 -5.6 63 81 A Q E -M 50 0C 37 -13,-2.1 -13,-3.1 -2,-0.1 2,-0.6 -0.993 7.9-161.7-129.5 126.2 1.9 -27.2 -7.2 64 82 A F E +M 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 17.1 169.5-108.8 118.8 1.2 -23.5 -7.7 65 83 A I E -M 48 0C 13 -17,-2.8 -17,-2.8 -2,-0.6 2,-0.1 -0.991 28.1-129.6-135.8 126.9 -2.5 -22.7 -8.2 66 84 A S E -M 47 0C 51 -2,-0.4 25,-3.0 -19,-0.3 2,-0.3 -0.403 28.3-107.5 -72.2 149.3 -4.1 -19.3 -8.2 67 85 A A E -N 90 0C 19 -21,-2.6 23,-0.3 23,-0.3 -22,-0.1 -0.579 24.4-171.4 -70.9 137.4 -7.1 -18.5 -6.0 68 86 A S E S+ 0 0 66 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.679 73.6 5.3 -92.3 -27.3 -10.5 -18.0 -7.8 69 87 A K E -N 89 0C 90 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.961 57.8-156.7-159.3 141.4 -12.4 -16.7 -4.8 70 88 A S E -N 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.953 8.6-165.3-119.5 139.7 -11.7 -15.8 -1.2 71 89 A I E -N 87 0C 36 16,-3.0 16,-2.5 -2,-0.4 2,-0.3 -0.925 5.2-159.4-129.6 105.4 -14.5 -15.8 1.5 72 90 A V E -N 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.631 42.1 -88.5 -72.8 143.4 -13.7 -14.0 4.7 73 91 A H > - 0 0 22 12,-2.3 3,-2.0 -2,-0.3 -1,-0.1 -0.203 35.4-122.7 -53.7 142.0 -16.0 -15.2 7.6 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.765 109.7 41.1 -59.2 -27.6 -19.2 -13.1 7.7 75 93 A S T 3 S+ 0 0 71 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.162 78.8 141.3-108.7 14.4 -18.5 -12.0 11.3 76 94 A Y < - 0 0 53 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.377 32.7-163.7 -58.1 132.6 -14.8 -11.4 11.1 77 95 A N > - 0 0 68 5,-2.2 4,-2.1 -2,-0.1 5,-0.5 -0.964 7.8-161.5-118.4 117.3 -13.8 -8.3 13.2 78 96 A S T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.688 87.9 55.8 -75.7 -15.1 -10.3 -7.0 12.2 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.898 123.4 22.0 -81.3 -43.1 -9.9 -5.0 15.5 80 98 A T T 4 S- 0 0 74 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.582 96.5-131.1 -95.9 -16.3 -10.5 -7.9 17.9 81 99 A L >< + 0 0 34 -4,-2.1 3,-0.8 1,-0.3 -3,-0.2 0.587 48.9 160.5 64.9 17.6 -9.6 -10.7 15.5 82 100 A N T 3 + 0 0 39 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.475 66.8 15.1 -66.7 134.0 -12.8 -12.5 16.5 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.917 79.4-179.8 66.7 47.8 -13.7 -15.1 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.488 37.2 109.5 -84.5 79.1 -10.3 -15.0 12.2 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.996 36.8 174.0-151.8 143.3 -10.9 -17.5 9.4 86 104 A M E -LN 37 72C 0 -49,-2.1 -49,-2.6 -2,-0.3 2,-0.4 -0.961 21.3-135.3-147.5 160.0 -11.3 -17.4 5.7 87 105 A L E -LN 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.4 -0.944 13.4-162.8-113.4 143.2 -11.7 -19.9 2.8 88 106 A I E -LN 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.994 7.0-151.6-129.2 127.3 -9.9 -19.8 -0.5 89 107 A K E -LN 34 69C 38 -20,-2.9 -21,-2.8 -2,-0.4 -20,-1.2 -0.818 17.0-130.5 -97.5 137.8 -11.0 -21.7 -3.5 90 108 A L E - 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